Many-body interactions and melting of colloidal crystals

We study the melting behavior of charged colloidal crystals, using a simulation technique that combines a continuous mean-field Poisson-Boltzmann description for the microscopic electrolyte ions with a Brownian-dynamics simulation for the mesoscopic colloids. This technique ensures that many-body interactions between the colloids are fully taken into account, and thus allows us to investigate how many-body interactions affect the solid-liquid phase behavior of charged colloids. Using the Lindemann criterion, we determine the melting line in a phase-diagram spanned by the colloidal charge and the salt concentration. We compare our results to predictions based on the established description of colloidal suspensions in terms of pairwise additive Yukawa potentials, and find good agreement at high-salt, but not at low-salt concentration. Analyzing the effective pair-interaction between two colloids in a crystalline environment, we demonstrate that the difference in the melting behavior observed at low salt is due to many-body interactions

Effect of many-body interactions on the solid-liquid phase-behavior of charge-stabilized colloidal suspensions

The solid-liquid phase-diagram of charge-stabilized colloidal suspensions is calculated using a technique that combines a continuous Poisson-Boltzmann description for the microscopic electrolyte ions with a molecular-dynamics simulation for the macroionic colloidal spheres. While correlations between the microions are neglected in this approach, many-body interactions between the colloids are fully included. The solid-liquid transition is determined at a high colloid volume fraction where many-body interactions are expected to be strong. With a view to the Derjaguin-Landau-Verwey-Overbeek theory predicting that colloids interact via Yukawa pair-potentials, we compare our results with the phase diagram of a simple Yukawa liquid. Good agreement is found at high salt conditions, while at low ionic strength considerable deviations are observed. By calculating effective colloid-colloid pair-interactions it is demonstrated that these differences are due to many-body interactions. We suggest a density-dependent pair-potential in the form of a truncated Yukawa potential, and show that it offers a considerably improved description of the solid-liquid phase-behavior of concentrated colloidal suspensions

Mean Field Fluid Behavior of the Gaussian Core Model

We show that the Gaussian core model of particles interacting via a penetrable repulsive Gaussian potential, first considered by Stillinger (J. Chem. Phys. 65, 3968 (1976)), behaves like a weakly correlated ``mean field fluid'' over a surprisingly wide density and temperature range. In the bulk the structure of the fluid phase is accurately described by the random phase approximation for the direct correlation function, and by the more sophisticated HNC integral equation. The resulting pressure deviates very little from a simple, mean-field like, quadratic form in the density, while the low density virial expansion turns out to have an extremely small radius of convergence. Density profiles near a hard wall are also very accurately described by the corresponding mean-field free-energy functional. The binary version of the model exhibits a spinodal instability against de-mixing at high densities. Possible implications for semi-dilute polymer solutions are discussed.Comment: 13 pages, 2 columns, ReVTeX epsfig,multicol,amssym, 15 figures; submitted to Phys. Rev. E (change: important reference added

Interaction between macroions mediated by divalent rod-like ions

Attractive interactions between identical like-charged macroions in aqueous multivalent salt solution arise due to ion-ion correlations. The mean-field level Poisson-Boltzmann (PB) theory does not predict such behavior for point-like structureless ions. Various multivalent ions, such as certain DNA condensing agents or short stiff polyelectrolytes, do have an internal, often rod-like, structure. Applying PB theory to the generic case of divalent rod-like salt ions, we find attraction between like-charged macroions above a critical distance between the two individual charges of the rod-like ions. We calculate this distance analytically within linearized PB theory. Numerical results for the non-linear PB theory indicate strong enhancement of the tendency to mediate attractive interactions

Calculation of droplet deformation at intermediate Reynolds number using a Volume of Fluid technique

The deformation of a droplet or bubble in simple extensional flow fields is investigated at intermediate Reynolds number using a Volume-of-Fluid (VOF) numerical algorithm (MAC2) developed by Rudman. The results of an evaluation study of the MAC2 algorithm for such flows are presented. The final steady shapes of droplets in axisymmetric extensional flow fields determined by MAC2 are compared with the published numerical results of Ramaswamy and Leal. This work forms the initial stage of a more comprehensive study of droplet deformation in time-dependent shear fields experienced by drops flowing through devices (e.g.\ homogenisers) designed for droplet breakup

Poisson -- Boltzmann Brownian Dynamics of Charged Colloids in Suspension

We describe a method to simulate the dynamics of charged colloidal particles suspended in a liquid containing dissociated ions and salt ions. Regimes of prime current interest are those of large volume fraction of colloids, highly charged particles and low salt concentrations. A description which is tractable under these conditions is obtained by treating the small dissociated and salt ions as continuous fields, while keeping the colloidal macroions as discrete particles. For each spatial configuration of the macroions, the electrostatic potential arising from all charges in the system is determined by solving the nonlinear Poisson--Boltzmann equation. From the electrostatic potential, the forces acting on the macroions are calculated and used in a Brownian dynamics simulation to obtain the motion of the latter. The method is validated by comparison to known results in a parameter regime where the effective interaction between the macroions is of a pairwise Yukawa form

Opioid peptides encrypted in intact milk protein sequences

peer-reviewedOpioid agonistic and antagonistic peptides which are inactive within the sequence of the precursor milk proteins can be released and thus activated by enzymatic proteolysis, for example during gastrointestinal digestion or during food processing. Activated opioid peptides are potential modulators of various regulatory processes in the body. Opioid peptides can interact with subepithelial opioid receptors or specific luminal binding sites in the intestinal tract. Furthermore, they may be absorbed and then reach endogenous opioid receptors

Public Health Response to Imported Case of Poliomyelitis, Australia, 2007

Inactivated polio vaccine was offered, and the index case-patient and household contacts were quarantined

Hydration interactions: aqueous solvent effects in electric double layers

A model for ionic solutions with an attractive short-range pair interaction between the ions is presented. The short-range interaction is accounted for by adding a quadratic non-local term to the Poisson-Boltzmann free energy. The model is used to study solvent effects in a planar electric double layer. The counter-ion density is found to increase near the charged surface, as compared with the Poisson-Boltzmann theory, and to decrease at larger distances. The ion density profile is studied analytically in the case where the ion distribution near the plate is dominated only by counter-ions. Further away from the plate the density distribution can be described using a Poisson-Boltzmann theory with an effective surface charge that is smaller than the actual one.Comment: 11 Figures in 13 files + LaTex file. 20 pages. Accepted to Phys. Rev. E. Corrected typos and reference